CID 3232118

1-cyclopentyl-2-oxo-2,3-dihydro-1h-1,3-benzodiazole-5-carboxylic acid

Structural Information

Molecular Formula
C13H14N2O3
SMILES
C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)O)NC2=O
InChI
InChI=1S/C13H14N2O3/c16-12(17)8-5-6-11-10(7-8)14-13(18)15(11)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,18)(H,16,17)
InChIKey
ATPXZVQETNPJTK-UHFFFAOYSA-N
Compound name
1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 153.1
[M+Na]+ 269.08967 162.1
[M-H]- 245.09317 156.5
[M+NH4]+ 264.13427 171.0
[M+K]+ 285.06361 157.6
[M+H-H2O]+ 229.09771 146.4
[M+HCOO]- 291.09865 172.1
[M+CH3COO]- 305.11430 165.1
[M+Na-2H]- 267.07512 154.2
[M]+ 246.09990 151.8
[M]- 246.10100 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.